ChemSpider 2D Image | 11-[(5E)-5-{[5-Cyano-2-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-6-oxo-1,6-dihydro-3-pyridinyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid | C30H42N4O5S2

11-[(5E)-5-{[5-Cyano-2-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-6-oxo-1,6-dihydro-3-pyridinyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

  • Molecular FormulaC30H42N4O5S2
  • Average mass602.808 Da
  • Monoisotopic mass602.259644 Da
  • ChemSpider ID12229291

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

11-[(5E)-5-{[5-Cyan-2-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-6-oxo-1,6-dihydro-3-pyridinyl]methylen}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecansäure [German] [ACD/IUPAC Name]
11-[(5E)-5-{[5-Cyano-2-(2,6-dimethyl-4-morpholinyl)-1-ethyl-4-methyl-6-oxo-1,6-dihydro-3-pyridinyl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid [ACD/IUPAC Name]
11-[(5E)-5-{[5-Cyano-2-(2,6-dimethylmorpholin-4-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
3-Thiazolidineundecanoic acid, 5-[[5-cyano-2-(2,6-dimethyl-4-morpholinyl)-1-ethyl-1,6-dihydro-4-methyl-6-oxo-3-pyridinyl]methylene]-4-oxo-2-thioxo-, (5E)- [ACD/Index Name]
Acide 11-[(5E)-5-{[5-cyano-2-(2,6-diméthyl-4-morpholinyl)-1-éthyl-4-méthyl-6-oxo-1,6-dihydro-3-pyridinyl]méthylène}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undécanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 628.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 334.0±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 163.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 87.61
ACD/KOC (pH 5.5): 507.85
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 8.15
Polar Surface Area: 172 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 468.0±5.0 cm3

Click to predict properties on the Chemicalize site


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